1-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CCN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CCN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H30N6O/c1-18(2)22-21(28)20-17-27(24-23-20)16-15-26-13-11-25(12-14-26)10-6-9-19-7-4-3-5-8-19/h3-9,17-18H,10-16H2,1-2H3,(H,22,28)/p+1/b9-6+